207 related articles for article (PubMed ID: 24805066)
1. QM/MM modelling of drug-metabolizing enzymes.
Lonsdale R; Mulholland AJ
Curr Top Med Chem; 2014; 14(11):1339-47. PubMed ID: 24805066
[TBL] [Abstract][Full Text] [Related]
2. Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9.
Lonsdale R; Houghton KT; Żurek J; Bathelt CM; Foloppe N; de Groot MJ; Harvey JN; Mulholland AJ
J Am Chem Soc; 2013 May; 135(21):8001-15. PubMed ID: 23641937
[TBL] [Abstract][Full Text] [Related]
3. Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s.
Kontoyianni M; Lacy B
Curr Med Chem; 2018; 25(28):3353-3373. PubMed ID: 29484977
[TBL] [Abstract][Full Text] [Related]
4. Designing better drugs: predicting cytochrome P450 metabolism.
de Groot MJ
Drug Discov Today; 2006 Jul; 11(13-14):601-6. PubMed ID: 16793528
[TBL] [Abstract][Full Text] [Related]
5. Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity.
Lewis DF; Ito Y
Xenobiotica; 2009 Aug; 39(8):625-35. PubMed ID: 19514836
[TBL] [Abstract][Full Text] [Related]
6. Predicting reactivity to drug metabolism: beyond P450s-modelling FMOs and UGTs.
Öeren M; Walton PJ; Hunt PA; Ponting DJ; Segall MD
J Comput Aided Mol Des; 2021 Apr; 35(4):541-555. PubMed ID: 32533369
[TBL] [Abstract][Full Text] [Related]
7. Recent Structural Insights into Cytochrome P450 Function.
Guengerich FP; Waterman MR; Egli M
Trends Pharmacol Sci; 2016 Aug; 37(8):625-640. PubMed ID: 27267697
[TBL] [Abstract][Full Text] [Related]
8. Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations.
Lodola A; Callegari D; Scalvini L; Rivara S; Mor M
Methods Mol Biol; 2020; 2114():307-337. PubMed ID: 32016901
[TBL] [Abstract][Full Text] [Related]
9. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling.
Dong D; Wu B; Chow D; Hu M
Drug Metab Rev; 2012 May; 44(2):192-208. PubMed ID: 22251142
[TBL] [Abstract][Full Text] [Related]
10. Computational study on the metabolic activation mechanism of PeCDD by Cytochrome P450 1A1.
Zhu L; Zhou J; Zhang Q; Li Y; Wang W
J Hazard Mater; 2021 Mar; 405():124276. PubMed ID: 33158646
[TBL] [Abstract][Full Text] [Related]
11. Use of density functional theory in drug metabolism studies.
Rydberg P; Jørgensen FS; Olsen L
Expert Opin Drug Metab Toxicol; 2014 Feb; 10(2):215-27. PubMed ID: 24295134
[TBL] [Abstract][Full Text] [Related]
12. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling.
Dong D; Wu B
Drug Metab Rev; 2012 Feb; 44(1):1-17. PubMed ID: 22242930
[TBL] [Abstract][Full Text] [Related]
13. Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450.
Oláh J; Mulholland AJ; Harvey JN
Proc Natl Acad Sci U S A; 2011 Apr; 108(15):6050-5. PubMed ID: 21444768
[TBL] [Abstract][Full Text] [Related]
14. Human P450s in the metabolism of drugs: molecular modelling of enzyme-substrate interactions.
Lewis DF
Expert Opin Drug Metab Toxicol; 2005 Jun; 1(1):5-8. PubMed ID: 16922648
[TBL] [Abstract][Full Text] [Related]
15. The immunohistochemical localization of drug-metabolizing enzymes in prostate cancer.
Murray GI; Taylor VE; McKay JA; Weaver RJ; Ewen SW; Melvin WT; Burke MD
J Pathol; 1995 Oct; 177(2):147-52. PubMed ID: 7490681
[TBL] [Abstract][Full Text] [Related]
16. Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450.
Stjernschantz E; Vermeulen NP; Oostenbrink C
Expert Opin Drug Metab Toxicol; 2008 May; 4(5):513-27. PubMed ID: 18484912
[TBL] [Abstract][Full Text] [Related]
17. The human hepatic cytochromes P450 involved in drug metabolism.
Wrighton SA; Stevens JC
Crit Rev Toxicol; 1992; 22(1):1-21. PubMed ID: 1616599
[TBL] [Abstract][Full Text] [Related]
18. Cytochrome P450s and other enzymes in drug metabolism and toxicity.
Guengerich FP
AAPS J; 2006 Mar; 8(1):E101-11. PubMed ID: 16584116
[TBL] [Abstract][Full Text] [Related]
19. Modulation of phase II drug metabolizing enzyme activities by N-heterocycles.
Franklin MR
Curr Drug Metab; 2002 Dec; 3(6):599-607. PubMed ID: 12369888
[TBL] [Abstract][Full Text] [Related]
20. A multiscale approach to modelling drug metabolism by membrane-bound cytochrome P450 enzymes.
Lonsdale R; Rouse SL; Sansom MS; Mulholland AJ
PLoS Comput Biol; 2014 Jul; 10(7):e1003714. PubMed ID: 25033460
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]